Geometry & MOs

Info

ID:	66632
PubChem CID:	46504953
Reduced:	BrSN2O5C20H25 (1)
Stoich.:	ABC2D5E20F25 (1)
Weight, g/mol:	485.062
ΔH_f, kcal/mol:	-170.75
Dipole, Da:	9.65
IP(EA), eV:	-8.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]sulfonyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations